3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one

C13H20N2O2 — CID 137457481

IUPAC3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one
SMILESCCNc1cccn(C2CCC(O)CC2)c1=O
InChIInChI=1S/C13H20N2O2/c1-2-14-12-4-3-9-15(13(12)17)10-5-7-11(16)8-6-10/h3-4,9-11,14,16H,2,5-8H2,1H3
InChIKeyMWALKWGRBKVCNA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.76
Rot. Bonds3

About 3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one

3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one (PubChem CID 137457481) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one
PubChem CID137457481
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one
SMILESCCNc1cccn(C2CCC(O)CC2)c1=O
InChIInChI=1S/C13H20N2O2/c1-2-14-12-4-3-9-15(13(12)17)10-5-7-11(16)8-6-10/h3-4,9-11,14,16H,2,5-8H2,1H3
InChIKeyMWALKWGRBKVCNA-UHFFFAOYSA-N
XLogP1.76
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one?
The IUPAC name of 3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one (CID 137457481) is 3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one is CCNc1cccn(C2CCC(O)CC2)c1=O.
What is the InChIKey of 3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one?
The InChIKey is MWALKWGRBKVCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-14-12-4-3-9-15(13(12)17)10-5-7-11(16)8-6-10/h3-4,9-11,14,16H,2,5-8H2,1H3.
What are the key properties of 3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one?
3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(4-hydroxycyclohexyl)pyridin-2-one is sourced from PubChem (CID 137457481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).